SCHEMBL9718890

SCHEMBL9718890

O=C(c1ccccc1)c1ccccc1OC(F)(F)C(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ELANE P08246 2/20 0.49
AKR1C3 P42330 1/20 0.42
ABCB1 P08183 7/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 4/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
NR4A1 P22736 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4432486 0.86 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10RECQLMAPT
SCHEMBL3669236 0.82 IRAK4 (0.49) TSHRALDH1A1HSD17B10RECQLMAPT
SCHEMBL2940312 0.82 TSHR (0.45) TSHRALDH1A1HSD17B10ELANERECQL
SCHEMBL10937430 0.81 ELANE (0.57) ALDH1A1ELANEAKR1C3ABCB1MAPT
SCHEMBL10934437 0.77 MEN1 (0.46) TSHRHSD17B10ELANEAKR1C3ABCB1
SCHEMBL7751671 0.77 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10RECQLMAPT
SCHEMBL28741706 0.74 ELANE (0.66) TSHRALDH1A1HSD17B10ELANEAKR1C3
SCHEMBL976982 0.74 KDM4E (0.50) TSHRALDH1A1HSD17B10AKR1C3RECQL
SCHEMBL5073351 0.74 MAPT (0.54) TSHRALDH1A1ELANEAKR1C3ABCB1
SCHEMBL30668163 0.74 MAPT (0.54) TSHRALDH1A1ELANEAKR1C3ABCB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104559-A Lubricants or oil additives THE DOW CHEMICAL COMPANY (US) 1992-04-14 US disclosed